Information card for entry 4312948

Structure parameters

• Formula: C28 H22 Cu2 N14 O14
• Calculated formula: C28 H22 Cu2 N14 O14
• SMILES: N(=O)(=O)O[Cu]1(ON(=O)=O)[n]2cccc(c2)c2nnc(c3ccc[n](c3)[Cu]([n]3cccc(c3)c3nnc(c4ccc[n]1c4)o3)(ON(=O)=O)ON(=O)=O)o2.CC#N.N#CC
• Title of publication: From Metallacyclophanes to 1-D Coordination Polymers: Role of Anions in Self-Assembly Processes of Copper(II) and 2,5-Bis(3-pyridyl)-1,3,4-oxadiazole
• Authors of publication: Miao Du; Xian-He Bu; Zheng Huang; Shen-Tan Chen; Ya-Mei Guo; Carmen Diaz; Joan Ribas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 552 - 559
• a: 7.863 ± 0.003 Å
• b: 8.679 ± 0.003 Å
• c: 13.375 ± 0.005 Å
• α: 74.121 ± 0.005°
• β: 78.407 ± 0.006°
• γ: 86.307 ± 0.006°
• Cell volume: 860 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No